SCHEMBL7954633

SCHEMBL7954633

COc1ccc(Cl)cc1-c1nccn1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 4/20 0.47
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41
TUBA1C Q9BQE3 1/20 0.41
TUBB6 Q9BUF5 1/20 0.41
TUBB2B Q9BVA1 1/20 0.41
TUBB1 Q9H4B7 1/20 0.41
CYP2C9 P11712 1/20 0.39
PTK2 Q05397 1/20 0.39
GPX4 P36969 1/20 0.38
CTSA P10619 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7957503 0.85 TUBB4A (0.44) NR1I2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5756138 0.81 TMPRSS4 (0.45) CYP2C9MEN1KMT2AMAPKAPK2
SCHEMBL4563977 0.81 HSD11B1 (0.45) NR1I2MEN1KMT2AMAPKAPK2
SCHEMBL7952751 0.80 TUBB4A (0.43) NR1I2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7957104 0.75 ATM (0.46) NR1I2CYP2C9MCHR1TRPV1CASR
SCHEMBL7950922 0.75 CYP2C9 (0.47) NR1I2CYP2C9HPGDMEN1KMT2A
SCHEMBL7944461 0.70 MAPT (0.49) CYP2C9CTSAHPGDMEN1KMT2A
SCHEMBL5788915 0.70 TUBB4A (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6528504 0.69 HSD11B1 (0.51) MEN1KMT2AMAPKAPK2
SCHEMBL14740191 0.69 NR1I3 (0.43) NR1I2HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6271249-B1 Diphenyl imidazoles as potassium channel modulators BRISTOL-MYERS SQUIBB COMPANY 2001-08-07 US disclosed
US-6077861-A MODULATORS OF THE LARGE-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM (BK) CHANNELS, THEREFORE, USEFUL IN THE TREATMENT OF ISCHEMIC STROKE BRISTOL-MYERS SQUIBB COMPANY (US) 2000-06-20 US disclosed
US-5869509-A TREAT DISORDERS RESPONSIVE TO OPENERS OF THE LARGE CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-02-09 US disclosed